Non-covalent interactions of C60 fullerene and its derivatives

• Main Author: Abuajwa, Wissam
• Published: University of Nottingham 2012
• Subjects: 546.681
• Online Access: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.588068

In this thesis, the design and synthesis of novel C60 fullerene compounds with different functional groups is reported. Chapter 1 introduces the background of the project with a general introduction into the covalent and non-covalent types of bonding interactions, and the chemistry and reactions of C60 fullerenes. Chapter 2 focuses on co-crystallisation of pristine C60 with selected aromatic compounds. Single crystals have been obtained and characterised by X-ray diffraction. Chapter 3 is concerned with the synthesis and characterisation of novel fullerene compounds by using Prato cycloaddition reactions, such novel compounds are further characterised in the solid state by single crystal X-ray diffraction. Hirshfeld surfaces are used to investigate the non-covalent interaction of the obtained crystal structures. Chapter 4 describes the synthesis and characterisation of novel fullerene compounds by using Bingel cycloaddition reactions. Crystallisation experiments have been attempted and theoretical studies using the semi-empirical method, parameterized model number 3, have been employed to investigate the charge transfer between the ligand and the C60 molecule. The novel molecules in this work have been characterised by infrared and NMR spectroscopies, and mass spectrometry. Single crystal X-ray diffraction was used when appropriate.